3-(dimethylaminomethyl)-6-methoxy-2-(2-oxidanylidene-1-piperidin-4-yl-propyl)-4-phenyl-isoquinolin-1-one

Systemtic Name: 3-(dimethylaminomethyl)-6-methoxy-2-(2-oxidanylidene-1-piperidin-4-yl-propyl)-4-phenyl-isoquinolin-1-one Openeye Name: 3-(dimethylaminomethyl)-6-methoxy-2-[2-oxo-1-(4-piperidyl)propyl]-4-phenyl-isoquinolin-1-one CAS Name: 3-(dimethylaminomethyl)-6-methoxy-2-[2-oxo-1-(4-piperidinyl)propyl]-4-phenyl-1-isoquinolinone IUPAC Name: 3-(dimethylaminomethyl)-6-methoxy-2-(2-oxo-1-piperidin-4-ylpropyl)-4-phenylisoquinolin-1-one Traditional Name: 3-(dimethylaminomethyl)-2-[2-keto-1-(4-piperidyl)propyl]-6-methoxy-4-phenyl-isocarbostyril Formula: C27H33N3O3 MolecularWeight: 447.56922

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C1CCNCC1)N2C(=C(C3=C(C2=O)C=CC(=C3)OC)C4=CC=CC=C4)CN(C)C

Isomeric SMILES

CC(=O)C(C1CCNCC1)N2C(=C(C3=C(C2=O)C=CC(=C3)OC)C4=CC=CC=C4)CN(C)C

InChI

InChI=1S/C27H33N3O3/c1-18(31)26(20-12-14-28-15-13-20)30-24(17-29(2)3)25(19-8-6-5-7-9-19)23-16-21(33-4)10-11-22(23)27(30)32/h5-11,16,20,26,28H,12-15,17H2,1-4H3